Reaction Details |
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Target | Bifunctional purine biosynthesis protein ATIC |
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Ligand | BDBM22580 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_430370 (CHEMBL914875) |
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IC50 | 3300±n/a nM |
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Citation | Li, C; Xu, L; Wolan, DW; Wilson, IA; Olson, AJ Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors. J Med Chem47:6681-90 (2004) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Bifunctional purine biosynthesis protein ATIC |
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Name: | Bifunctional purine biosynthesis protein ATIC |
Synonyms: | 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase | 5-aminoimidazole-4-carboxamide-ribonucleotide transformylase | AICAR Tfase | AICAR transformylase | ATIC | Aminoimidazole carboxamide ribonucleotide transformylase (AICAR Tfase) | Bifunctional purine biosynthesis protein PURH | IMP Cyclohydrolase (IMPCH) | IMP cyclohydrolase | IMP synthetase | Inosinicase | PUR9_HUMAN | PURH | Phosphoribosylaminoimidazolecarboxamide formyltransferase | Thymidylate synthase/GAR transformylase/AICAR transformylase |
Type: | Protein |
Mol. Mass.: | 64616.62 |
Organism: | Homo sapiens (Human) |
Description: | P31939 |
Residue: | 592 |
Sequence: | MAPGQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEM
LGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNLYPFVKTVASPGVTVEEA
VEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFT
HTAQYDEAISDYFRKQYSKGVSQMPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINL
CDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPIS
AAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTILSKKKNG
NYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIV
ATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKANYWWLRHHPQVLSMKFKT
GVKRAEISNAIDQYVTGTIGEDEDLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDA
FFPFRDNVDRAKRSGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH
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BDBM22580 |
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n/a |
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Name | BDBM22580 |
Synonyms: | 47729-M | 5-chloro-2-{5-hydroxy-3-methyl-4-[(E)-2-[4-(4-methylphenoxysulfonyl)phenyl]diazen-1-yl]-1H-pyrazol-1-yl}benzene-1-sulfonic acid | CHEMBL222187 |
Type | Small organic molecule |
Emp. Form. | C23H19ClN4O7S2 |
Mol. Mass. | 563.003 |
SMILES | Cc1[nH]n(-c2ccc(Cl)cc2S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1 |w:18.19| |
Structure |
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